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Compound Detail

CHEMBL143493

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NC(CS)CC1CCCCC1

Basic Information

ChEMBL ID CHEMBL143493
Phase Preclinical
Structure Type MOL
InChI Key GZRRKQOVRJEUJB-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

173.3
MW (Da)
2.21
ALogP
2
HBA
2
HBD
26.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H19NS
MW 173.32
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.42

Activity Summary

IC50 1 meas. best 7.35
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
IC50 7.35 7.35 45.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 45.0 nM 7.35 Compound was tested for inhibitory potency against aminopeptidase N from hog kid... 1348542

Literature References

PubMed DOI Target Context # Activities
1348542 10.1021/jm00085a013 Aminopeptidase N 1
14561084 10.1021/jm0300680 Unchecked 1

Data from ChEMBL 36 via Core Engine